N-butyl-2-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-butyl-2-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]sulfanyl-pyridine-3-carboxamide Openeye Name: N-butyl-2-[2-(4-isopropylanilino)-2-oxo-ethyl]sulfanyl-pyridine-3-carboxamide CAS Name: N-butyl-2-[[2-oxo-2-(4-propan-2-ylanilino)ethyl]thio]-3-pyridinecarboxamide IUPAC Name: N-butyl-2-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanylpyridine-3-carboxamide Traditional Name: N-butyl-2-[(2-cumidino-2-keto-ethyl)thio]nicotinamide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(N=CC=C1)SCC(=O)NC2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCCCNC(=O)C1=C(N=CC=C1)SCC(=O)NC2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C21H27N3O2S/c1-4-5-12-22-20(26)18-7-6-13-23-21(18)27-14-19(25)24-17-10-8-16(9-11-17)15(2)3/h6-11,13,15H,4-5,12,14H2,1-3H3,(H,22,26)(H,24,25)